SCHEMBL5141007

SCHEMBL5141007

Nc1ncnn2c(-c3cccc(CNC(=O)O)c3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 14/20 0.46
PIK3CD O00329 6/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14312493 0.94 PIK3CD (0.45) RIPK1PIK3CD
SCHEMBL14313418 0.92 PIK3CD (0.45) RIPK1PIK3CD
SCHEMBL14312945 0.90 PIK3CD (0.44) RIPK1PIK3CD
SCHEMBL14312688 0.90 RIPK1 (0.43) RIPK1PIK3CD
SCHEMBL5074942 0.89 PIK3CD (0.51) RIPK1PIK3CD
SCHEMBL5074925 0.89 PIK3CD (0.43) RIPK1PIK3CD
SCHEMBL5076815 0.88 PIK3CD (0.50) RIPK1PIK3CD
SCHEMBL14312965 0.88 RIPK1 (0.42) RIPK1PIK3CD
SCHEMBL14312905 0.88 PIK3CD (0.55) RIPK1PIK3CD
SCHEMBL14312843 0.88 RIPK1 (0.43) RIPK1PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945222-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES Bayer HealthCare AG (DE) 2008-07-23 EP disclosed
WO-2007056170-A2 PYRROLO[2,1-F] [1,2,4] TRIAZIN-4-YLAMINES IGF-1R KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER HYPERPROLIFERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2007-05-18 WO disclosed